methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate

C10H13NO5 — CID 171863841

IUPACmethyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCOC(=O)C(O)C(O)c1ccc(OC)nc1
InChIInChI=1S/C10H13NO5/c1-15-7-4-3-6(5-11-7)8(12)9(13)10(14)16-2/h3-5,8-9,12-13H,1-2H3
InChIKeyUYQWODABFUBROO-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.34
Rot. Bonds4

About methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate

methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate (PubChem CID 171863841) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
PubChem CID171863841
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Namemethyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCOC(=O)C(O)C(O)c1ccc(OC)nc1
InChIInChI=1S/C10H13NO5/c1-15-7-4-3-6(5-11-7)8(12)9(13)10(14)16-2/h3-5,8-9,12-13H,1-2H3
InChIKeyUYQWODABFUBROO-UHFFFAOYSA-N
XLogP-0.34
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
CID 114938482
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
CID 171864430
2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114937489
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
N-[3,4-dihydroxy-4-(6-methoxy-3-pyridinyl)butyl]acetamide
CID 171882826
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
1-(6-methoxy-3-pyridinyl)-2-nitropropan-1-ol
CID 59339701
dimethyl 2-[(1R)-1-(6-methoxy-3-pyridinyl)-2-nitroethyl]propanedioate
CID 118132770
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
4-bromo-1-(6-methoxy-3-pyridinyl)butane-1,2-diol
CID 171891786

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate (CID 171863841) is methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate is COC(=O)C(O)C(O)c1ccc(OC)nc1.
What is the InChIKey of methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate?
The InChIKey is UYQWODABFUBROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-15-7-4-3-6(5-11-7)8(12)9(13)10(14)16-2/h3-5,8-9,12-13H,1-2H3.
What are the key properties of methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate?
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate has a molecular weight of 227.22 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 171863841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).